N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide

C23H23N5O2S — CID 24857390

IUPACN-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C23H23N5O2S/c1-2-28-23-21(22(24)26-28)19(14-20(25-23)16-8-9-16)15-10-12-17(13-11-15)27-31(29,30)18-6-4-3-5-7-18/h3-7,10-14,16,27H,2,8-9H2,1H3,(H2,24,26)
InChIKeyJMXYLYFPHCNORX-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.38
Rot. Bonds6

About N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide

N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (PubChem CID 24857390) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
PubChem CID24857390
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C23H23N5O2S/c1-2-28-23-21(22(24)26-28)19(14-20(25-23)16-8-9-16)15-10-12-17(13-11-15)27-31(29,30)18-6-4-3-5-7-18/h3-7,10-14,16,27H,2,8-9H2,1H3,(H2,24,26)
InChIKeyJMXYLYFPHCNORX-UHFFFAOYSA-N
XLogP4.38
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (CID 24857390) is N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is JMXYLYFPHCNORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-2-28-23-21(22(24)26-28)19(14-20(25-23)16-8-9-16)15-10-12-17(13-11-15)27-31(29,30)18-6-4-3-5-7-18/h3-7,10-14,16,27H,2,8-9H2,1H3,(H2,24,26).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 433.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24857390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).